Chemical Components in the PDB

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QUS : Summary

Code

QUS

One-letter code

X

Molecule name

(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID

Synonyms

QUISQUALATE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

Formula

C5 H7 N3 O5

Formal charge

0

Molecular weight

189.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)ON1CC(N)C(=O)O
SMILES CACTVS 3.341 N[CH](CN1OC(=O)NC1=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)N1C(=O)NC(=O)O1
Canonical SMILES CACTVS 3.341 N[C@@H](CN1OC(=O)NC1=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1

IUPAC InChI

InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1

IUPAC InChI key

ASNFTDCKZKHJSW-REOHCLBHSA-N
QUS

wwPDB Information

Atom count

20 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-09-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned